SCHEMBL8613634

SCHEMBL8613634

CN1CCCC(Oc2cc3c(cc2Br)CCN3)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 8/20 0.39
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
PARP1 P09874 1/20 0.35
POLB P06746 1/20 0.34
CNR2 P34972 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8588306 0.89 IKBKB (0.40) UTS2RALDH1A1MAPTPARP1
SCHEMBL8613696 0.81 HRH3 (0.44) UTS2RALDH1A1MAPT
SCHEMBL8615064 0.78 ALDH1A1 (0.37) UTS2RALDH1A1MAPTCHRM2CHRM1
SCHEMBL8617442 0.73 CHRNB4 (0.46)
SCHEMBL8128972 0.71 ALDH1A1 (0.42) ALDH1A1MAPT
SCHEMBL15880539 0.71 HRH3 (0.47) PARP1
SCHEMBL8656325 0.71 ALDH1A1 (0.40) ALDH1A1MAPT
SCHEMBL17311546 0.71 HRH3 (0.47) PARP1
SCHEMBL31641521 0.71 HTR2C (0.54) UTS2RPOLB
SCHEMBL15880537 0.71 HRH3 (0.47) PARP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998050346-A2 ACETAMIDE AND UREA DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 1998-11-12 WO disclosed